Some Valency Oriented Molecular Invariants of Certain Networks

Comb Chem High Throughput Screen. 2022;25(3):462-475. doi: 10.2174/1386207323666201020145239.

Abstract

Background: The valency of an atom in a molecular structure is the number of its neighboring atoms. A large number of valency based molecular invariants have been conceived, which correlate certain physio-chemical properties like boiling point, stability, strain energy and many more chemical compounds.

Objective: Our aim is to study the valency based molecular invariants for four hexa chemical structures, namely hexagonal network, honeycomb network, oxide network and silicate sheet network.

Methods: We use the technique of atom-bonds partition according to the valences of atoms to find results.

Results and conclusion: Exact values of valency-based molecular invariants, namely the Randi index, atom bond connectivity index, geometric arithmetic index, harmonic index, Zagreb indices, Zagreb polynomials, F-index and F-polynomial, are found for four hexa chemical structures.

Keywords: ABC index; GA index; Randić index; Valency; Zagreb index; forgotten index; harmonic index; network.

MeSH terms

  • Algorithms
  • Models, Chemical*
  • Molecular Structure
  • Quantitative Structure-Activity Relationship*